CNDO calculations of ring puckering potential energy |
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Authors: | Giancarlo De Alti Piero Decleva |
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Institution: | Istituto di Chimica, Universita di Trieste, 34127 TriesteItaly |
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Abstract: | The ring puckering potential energy functions are calculated for 2,3-dihydrofuran, 2,5-dihydrofuran, cyclopentene and cyclopent-3-enone using the standard CNDO/2 method. The equilibrium conformations are discussed and the ring puckering force constants as well as the dipole moments are evaluated. A more detailed analysis of the influence of angular deformations on the potential function of the cyclopentene molecule is performed. |
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